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122535-04-0

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Basic Information
CAS No.: 122535-04-0
Name: Furo[3,2-b]pyridine-6-carboxylic acid
Molecular Structure:
Molecular Structure of 122535-04-0 (Furo[3,2-b]pyridine-6-carboxylic acid)
Formula: C8H5NO3
Molecular Weight: 163.132
Synonyms: Furo[3,2-b]pyridine-6-carboxylic acid
Density: 1.455 g/cm3
Melting Point: 238-239 °C
Boiling Point: 345.8 °C at 760 mmHg
Flash Point: 162.9 °C
PSA: 63.33000
LogP: 1.52600
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Specification

The Furo[3, 2-b]pyridine-6-carboxylic acid has CAS registry number 122535-04-0. This chemical's molecular formula is C8H5NO3 and molecular weight is 163.132. What's more, its systematic name is Furo[3, 2-b]pyridine-6-carboxylic acid.

Physical properties about Furo[3, 2-b]pyridine-6-carboxylic acid are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.18; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 63.33 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 41.41 cm3; (13)Molar Volume: 112 cm3; (14)Polarizability: 16.41×10-24 cm3; (15)Surface Tension: 67.5 dyne/cm; (16)Density: 1.455 g/cm3; (17)Flash Point: 162.9 °C; (18)Enthalpy of Vaporization: 62.26 kJ/mol; (19)Boiling Point: 345.8 °C at 760 mmHg; (20)Vapour Pressure: 2.28E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)c1cc2occc2nc1
(2) InChI: InChI=1/C8H5NO3/c10-8(11)5-3-7-6(9-4-5)1-2-12-7/h1-4H,(H,10,11)
(3) InChIKey: LIYSYIKDUZFTJS-UHFFFAOYAT